Butylamine

Butylamine

SCHEMBL628202

CCCC[NH3+].FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
MAPT P10636 1/20 0.36
GABRA2 P47869 4/20 0.35
GABRB2 P47870 4/20 0.35
DPP4 P27487 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE2A O00408 1/20 0.33
DNM1 Q05193 3/20 0.32
TLR8 Q9NR97 1/20 0.32
IDO1 P14902 2/20 0.32
RIPK1 Q13546 1/20 0.31
CES2 O00748 1/20 0.31
ICMT O60725 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Butylamine SCHEMBL6047452 0.82 MEN1 (0.39) CYP3A4MAPK1TSHRPDE2ADNM1
Tetrapentylammonium SCHEMBL527645 0.81 SLC22A1 (0.41) CYP3A4MAPK1MAPTGABRA2GABRB2
Tetrabuthylammonium SCHEMBL16668627 0.81 SLC22A1 (0.41) CYP3A4MAPK1CTSSCTSKMAPT
SCHEMBL134606 0.81 CYP3A4 (0.35) CYP3A4MAPK1CTSSCTSKMAPT
SCHEMBL31749536 0.79 SLC22A1 (0.43) CYP3A4MAPK1MAPTGABRA2GABRB2
SCHEMBL16669245 0.79 SLC22A1 (0.43) CYP3A4MAPK1MAPTGABRA2GABRB2
SCHEMBL4459420 0.79 GABRA2 (0.35) CYP3A4MAPK1CTSSCTSKMAPT
SCHEMBL6288802 0.78 CYP3A4 (0.34) CYP3A4MAPK1CTSSCTSKMAPT
SCHEMBL41567 0.78 CES2 (0.44) CYP3A4MAPK1MAPTTSHRTDP1
SCHEMBL15538611 0.77 GABRA2 (0.36) CYP3A4MAPK1MAPTGABRA2GABRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760814-B2 1,5 diazabicyclooctane ligand systems and methods therewith EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-09-19 US disclosed
US-20210284763-A1 1,5 Diazabicyclooctane Ligand Systems and Methods Therewith EXXONMOBIL CHEMICAL PATENTS INC. 2021-09-16 US disclosed
EP-2006071-B1 PROCESS FOR PRODUCING SHAPED ARTICLE BY T-DIE MOLDING MITSUI CHEMICALS INC (JP) 2012-02-22 EP disclosed
EP-2077283-B1 ETHYLENE COPOLYMER, COMPOSITION CONTAINING THE COPOLYMER, AND USE OF THE SAME MITSUI CHEMICALS INC (JP) 2011-09-21 EP disclosed
EP-2006071-A9 PROCESS FOR PRODUCING SHAPED ARTICLE BY T-DIE MOLDING Mitsui Chemicals, Inc. (JP) 2009-07-22 EP disclosed
EP-2006071-A2 PROCESS FOR PRODUCING SHAPED ARTICLE BY T-DIE MOLDING Mitsui Chemicals, Inc. (JP) 2008-12-24 EP disclosed
EP-1640385-A2 Process for preparing low molecular weight olefin (co)polymer and polymerizing catalyst used therefor MITSUI CHEMICALS, INC. (JP) 2006-03-29 EP disclosed
EP-1416000-A1 Process for preparing low molecular weight olefin (co)polymer and polymerizing catalyst used therefor Mitsui Chemicals, Inc. (JP) 2004-05-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11760814-B2 1,5 diazabicyclooctane ligand systems and methods therewith ODC1, DDT, OXGR1 CYP3A4 803/4885MAPK1 2002/4885CTSS 1934/4885
US-20210284763-A1 1,5 Diazabicyclooctane Ligand Systems and Methods Therewith ODC1, DDT, OXGR1 CYP3A4 803/4885MAPK1 2002/4885CTSS 1934/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.